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Compound Detail

CHEMBL4534392

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CN(O)C(=O)CC(O)c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4534392
Phase Preclinical
Structure Type MOL
InChI Key AQDMVXJLQSLNAB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.54
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO4
MW 301.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.34

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27492194 10.1016/j.bmc.2016.07.052 Urease subunit alpha/Urease subunit beta 1

Data from ChEMBL 36 via Core Engine